Reaction Details |
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Target | Cytochrome P450 1B1 |
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Ligand | BDBM50239038 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1664940 (CHEMBL4014736) |
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IC50 | 2.0±n/a nM |
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Citation | Mohd Siddique, MU; McCann, GJ; Sonawane, VR; Horley, N; Gatchie, L; Joshi, P; Bharate, SB; Jayaprakash, V; Sinha, BN; Chaudhuri, B Quinazoline derivatives as selective CYP1B1 inhibitors. Eur J Med Chem130:320-327 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 1B1 |
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Name: | Cytochrome P450 1B1 |
Synonyms: | CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1) |
Type: | PROTEIN |
Mol. Mass.: | 60861.81 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1474523 |
Residue: | 543 |
Sequence: | MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLI
GNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAF
ASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVAL
LVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSL
VDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSA
EKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAEL
DQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVV
FVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQL
FLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKE
TCQ
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BDBM50239038 |
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n/a |
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Name | BDBM50239038 |
Synonyms: | CHEMBL4074105 |
Type | Small organic molecule |
Emp. Form. | C17H12N2O2 |
Mol. Mass. | 276.2894 |
SMILES | O=c1[nH]c(nc2ccccc12)-c1ccc(OCC#C)cc1 |
Structure |
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